2-ethoxy-4-methylbenzenesulfonamide

C9H13NO3S — CID 22467267

IUPAC2-ethoxy-4-methylbenzenesulfonamide
SMILESCCOc1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-3-13-8-6-7(2)4-5-9(8)14(10,11)12/h4-6H,3H2,1-2H3,(H2,10,11,12)
InChIKeyKHPGWXDFJBBHPD-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.04
Rot. Bonds3

About 2-ethoxy-4-methylbenzenesulfonamide

2-ethoxy-4-methylbenzenesulfonamide (PubChem CID 22467267) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 2-ethoxy-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-4-methylbenzenesulfonamide
PubChem CID22467267
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name2-ethoxy-4-methylbenzenesulfonamide
SMILESCCOc1cc(C)ccc1S(N)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-3-13-8-6-7(2)4-5-9(8)14(10,11)12/h4-6H,3H2,1-2H3,(H2,10,11,12)
InChIKeyKHPGWXDFJBBHPD-UHFFFAOYSA-N
XLogP1.04
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methylbenzenesulfonamide?
The IUPAC name of 2-ethoxy-4-methylbenzenesulfonamide (CID 22467267) is 2-ethoxy-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-ethoxy-4-methylbenzenesulfonamide?
The canonical SMILES for 2-ethoxy-4-methylbenzenesulfonamide is CCOc1cc(C)ccc1S(N)(=O)=O.
What is the InChIKey of 2-ethoxy-4-methylbenzenesulfonamide?
The InChIKey is KHPGWXDFJBBHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-3-13-8-6-7(2)4-5-9(8)14(10,11)12/h4-6H,3H2,1-2H3,(H2,10,11,12).
What are the key properties of 2-ethoxy-4-methylbenzenesulfonamide?
2-ethoxy-4-methylbenzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methylbenzenesulfonamide is sourced from PubChem (CID 22467267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).